(2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol

C17H27FN2O — CID 95293335

IUPAC(2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](NCC1CCN(C[C@@H](C)O)CC1)c1ccccc1F
InChIInChI=1S/C17H27FN2O/c1-13(21)12-20-9-7-15(8-10-20)11-19-14(2)16-5-3-4-6-17(16)18/h3-6,13-15,19,21H,7-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyKOIQCHZIKRLTRB-KGLIPLIRSA-N
MW294.41 g/mol
LogP2.57
Rot. Bonds6

About (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95293335) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95293335
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name(2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](NCC1CCN(C[C@@H](C)O)CC1)c1ccccc1F
InChIInChI=1S/C17H27FN2O/c1-13(21)12-20-9-7-15(8-10-20)11-19-14(2)16-5-3-4-6-17(16)18/h3-6,13-15,19,21H,7-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyKOIQCHZIKRLTRB-KGLIPLIRSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(1R)-1-(2-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81379999
N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104574961
1-(2-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411471
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103276554
(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95299755
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997172
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
(2R)-1-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95606777
(3R)-3-(2-fluorophenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
CID 95348820
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol (CID 95293335) is (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol is C[C@H](NCC1CCN(C[C@@H](C)O)CC1)c1ccccc1F.
What is the InChIKey of (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is KOIQCHZIKRLTRB-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-13(21)12-20-9-7-15(8-10-20)11-19-14(2)16-5-3-4-6-17(16)18/h3-6,13-15,19,21H,7-12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 294.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95293335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).